SCHEMBL6571378

SCHEMBL6571378

C=Cc1ccc(-c2cc(N)ccc2N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
HDAC2 Q92769 3/20 0.39
DAPK3 O43293 1/20 0.34
JAK2 O60674 1/20 0.34
ABL1 P00519 1/20 0.34
NTRK1 P04629 1/20 0.34
FYN P06241 1/20 0.34
CSF1R P07333 1/20 0.34
RET P07949 1/20 0.34
MET P08581 1/20 0.34
PDGFRB P09619 1/20 0.34
FGFR1 P11362 1/20 0.34
FLT3 P36888 1/20 0.34
MAPK8 P45983 1/20 0.34
GSK3B P49841 1/20 0.34
CDK9 P50750 1/20 0.34
RPS6KA3 P51812 1/20 0.34
LIMK1 P53667 1/20 0.34
MAP2K1 Q02750 1/20 0.34
NTRK3 Q16288 1/20 0.34

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
SCHEMBL648323 0.86 ALDH1A1 (0.44) ALDH1A1HDAC2DAPK3JAK2ABL1
SCHEMBL21295902 0.85 ALDH1A1 (0.42) ALDH1A1HDAC2DAPK3JAK2ABL1
SCHEMBL1697580 0.83 ALDH1A1 (0.41) ALDH1A1HDAC2DAPK3JAK2ABL1
SCHEMBL30560581 0.82 ALDH1A1 (0.48) ALDH1A1HDAC2DAPK3JAK2ABL1
SCHEMBL30075769 0.81 TDP1 (0.50) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL2479814 0.81 TDP1 (0.50) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL6030003 0.81 DRD1 (0.38) ALDH1A1TDP1CYP19A1TSHRMEN1
SCHEMBL29938398 0.81 DRD1 (0.38) ALDH1A1TDP1CYP19A1TSHRMEN1
Hydrochloric Acid SCHEMBL6571929 0.79 TDP1 (0.48) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL30373953 0.78 TDP1 (0.41) ALDH1A1HDAC2TDP1TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP claimed
EP-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP disclosed
EP-1051143-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES Wella Aktiengesellschaft (DE) 2000-11-15 EP disclosed
WO-1999059527-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 1999-11-25 WO disclosed