SCHEMBL11061360

SCHEMBL11061360

COc1ccccc1NC(C(=O)Cl)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
LMNA P02545 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
GAA P10253 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2C9 P11712 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
LPAR1 Q92633 1/20 0.46
MAPT P10636 1/20 0.44
TSHR P16473 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALOX12 P18054 1/20 0.43
ALOX15 P16050 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL11204130 0.86 KMT2A (0.50) ALDH1A1LMNATDP1GAACYP1A2
SCHEMBL11059118 0.86 KMT2A (0.50) ALDH1A1LMNATDP1GAACYP1A2
SCHEMBL11060198 0.81 ALDH1A1 (0.52) ALDH1A1LMNAGAACYP1A2CYP2C19
SCHEMBL11062000 0.78 RAF1 (0.42) ALDH1A1LMNASMN1; SMN2TSHRMEN1
SCHEMBL19975181 0.76 ALDH1A1 (0.58) ALDH1A1LMNATDP1GAACYP1A2
SCHEMBL1421426 0.76 ALDH1A1 (0.58) ALDH1A1LMNATDP1SMN1; SMN2LPAR1
SCHEMBL1421427 0.76 ALDH1A1 (0.58) ALDH1A1LMNATDP1SMN1; SMN2LPAR1
SCHEMBL19538966 0.75 ALDH1A1 (0.47) ALDH1A1LMNATDP1GAACYP1A2
SCHEMBL3073589 0.74 ALDH1A1 (0.49) ALDH1A1LMNATDP1GAACYP1A2
SCHEMBL11871062 0.74 GAA (0.49) ALDH1A1LMNATDP1GAACYP1A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4464307-A Substituted acid chloride process ZOECON CORPORATION (US) 1984-08-07 US disclosed