SCHEMBL2723976

SCHEMBL2723976

C=C(C)C(=O)NCc1c(C)ccc(C)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.40
ALDH1A1 P00352 4/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2C9 P11712 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
PTGS2 P35354 1/20 0.32
CYP2D6 P10635 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL2724247 0.81 ALDH1A1 (0.33) P2RX7ALDH1A1KDM4ERXFP1TDP1
SCHEMBL2723364 0.77 TGM2 (0.45) P2RX7ALDH1A1LMNAKMT2ATDP1
SCHEMBL202718 0.71 MEN1 (0.61) ALDH1A1KDM4ETP53CYP1A2CYP2C19
SCHEMBL731190 0.71 KMT2A (0.50) ALDH1A1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL13450133 0.70 P2RX7 (0.36) P2RX7ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL5024307 0.69 SMN1; SMN2 (0.56) ALDH1A1LMNAKDM4ETP53NPC1
SCHEMBL13085011 0.69 ALDH1A1 (0.34) P2RX7ALDH1A1LMNACYP3A4NPC1
SCHEMBL11985093 0.69 ALDH1A1 (0.35) P2RX7ALDH1A1LMNAKDM4ENPC1
SCHEMBL59797 0.68 ALDH1A1 (0.47) ALDH1A1LMNAKDM4ENPC1RAB9A
SCHEMBL11234331 0.68 TGFBR1 (0.30)

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 9 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
US-4612392-A N-substituted acrylamide and methacrylamide derivatives and their preparation BASF AKTIENGESELLSCHAFT (DE) 1986-09-16 US disclosed