SCHEMBL7957503

SCHEMBL7957503

COc1ccc(Cl)cc1-c1nccn1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44
TUBB6 Q9BUF5 1/20 0.44
TUBB2B Q9BVA1 1/20 0.44
TUBB1 Q9H4B7 1/20 0.44
NR1I2 O75469 1/20 0.43
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
GPX4 P36969 1/20 0.41
FGFR1 P11362 2/20 0.41

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
SCHEMBL7954633 0.85 NR1I2 (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28810308 0.83 P2RX4 (0.50) MAPTFGFR1SRCHPGDMEN1
SCHEMBL5751866 0.80 FGFR1 (0.42) MAPTFGFR1HPGDMEN1KMT2A
SCHEMBL6504779 0.72 MAPKAPK2 (0.46) HPGDMEN1KMT2AALDH1A1TSHR
SCHEMBL5788915 0.71 TUBB4A (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL19353774 0.70 CYP3A4 (0.50) POLBMAPTSRCALDH1A1
SCHEMBL3759371 0.70 PTGDR2 (0.57) PTGDR2HPGDMEN1PPARGKMT2A
SCHEMBL29634149 0.70 PTGDR2 (0.57) PTGDR2HPGDMEN1PPARGKMT2A
SCHEMBL6499258 0.70 MAPKAPK2 (0.47) ALDH1A1LMNA
SCHEMBL6528504 0.70 HSD11B1 (0.51) POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6271249-B1 Diphenyl imidazoles as potassium channel modulators BRISTOL-MYERS SQUIBB COMPANY 2001-08-07 US disclosed
US-6077861-A MODULATORS OF THE LARGE-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM (BK) CHANNELS, THEREFORE, USEFUL IN THE TREATMENT OF ISCHEMIC STROKE BRISTOL-MYERS SQUIBB COMPANY (US) 2000-06-20 US disclosed
US-5869509-A TREAT DISORDERS RESPONSIVE TO OPENERS OF THE LARGE CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-02-09 US disclosed