SCHEMBL2724915

SCHEMBL2724915

C=CC(=O)NCc1ccc(CCBr)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.70
▸ LMNA P02545 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ THRB P10828 2/20 0.41
▸ THRA P10827 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ MMP1 P03956 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ EPHX1 P07099 1/20 0.38
▸ CDK13 Q14004 1/20 0.37
▸ TPSAB1 Q15661 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL732934 0.87 TGM2 (0.81) TGM2LMNACYP2C9ALDH1A1CYP2D6
SCHEMBL2722983 0.86 TGM2 (0.74) TGM2LMNACYP2C9ALDH1A1CYP2D6
SCHEMBL8604613 0.84 TGM2 (0.67) TGM2LMNACYP2C9ALDH1A1CYP2D6
SCHEMBL10890764 0.83 TGM2 (0.65) TGM2LMNACYP2C9ALDH1A1CYP2D6
SCHEMBL8966436 0.82 TGM2 (1.00) TGM2LMNACYP2C9ALDH1A1CYP2D6
SCHEMBL124217 0.80 TGM2 (0.71) TGM2LMNAALDH1A1CYP2D6CYP2C19
SCHEMBL2452377 0.80 TGM2 (0.71) TGM2LMNACYP2C9ALDH1A1CYP2D6
SCHEMBL2723387 0.79 TGM2 (0.69) TGM2LMNACYP2C9ALDH1A1CYP2D6
SCHEMBL5071229 0.79 TGM2 (0.69) TGM2LMNAALDH1A1CYP2C19MEN1
SCHEMBL3298245 0.79 TGM2 (0.69) TGM2LMNACYP2C9ALDH1A1CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4612392-A N-substituted acrylamide and methacrylamide derivatives and their preparation BASF AKTIENGESELLSCHAFT (DE) 1986-09-16 — — US claimed
US-10023782-B2 Salt-tolerant, thermally-stable rheology modifiers ISP INVESTMENTS LLC (US) 2018-07-17 — — US disclosed
US-20170335162-A1 SALT-TOLERANT, THERMALLY-STABLE RHEOLOGY MODIFIERS HERCULES LLC 2017-11-23 — — US disclosed
US-9611416-B2 Salt-tolerant, thermally-stable rheology modifiers ISP INVESTMENTS LLC (US) 2017-04-04 — — US disclosed
US-20130324443-A1 SALT-TOLERANT, THERMALLY-STABLE RHEOLOGY MODIFIERS ISP INVESTMENTS INC. (US) 2013-12-05 — — US disclosed
WO-2013162902-A1 SYNERGISTIC COMBINATION OF A FLUID LOSS ADDITIVE AND RHEOLOGY MODIFIER ISP INVESTMENTS INC (US) 2013-10-31 — — WO disclosed
WO-2013138156-A1 SYNTHESIS AND APPLICATION OF HIGH PRESSURE HIGH TEMPERATURE FLUID LOSS ADDITIVE AND RHEOLOGY STABILIZER ISP INVESTMENTS INC. (US) 2013-09-19 — — WO disclosed
WO-2012061147-A1 SALT-TOLERANT, THERMALLY-STABLE RHEOLOGY MODIFIERS ISP INVESTMENTS INC. (US) 2012-05-10 — — WO disclosed
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