SCHEMBL9358641

SCHEMBL9358641

CCc1ccccc1Nc1nc2ccccc2s1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.66
NPC1 O15118 12/20 0.66
SMN1; SMN2 Q16637 10/20 0.66
LMNA P02545 3/20 0.61
NFKB1 P19838 3/20 0.61
NFKB2 Q00653 3/20 0.61
RELA Q04206 3/20 0.61
BUB1 O43683 1/20 0.60
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
MAPT P10636 2/20 0.55
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
ADORA1 P30542 1/20 0.51
DYRK1A Q13627 1/20 0.51
OPRM1 P35372 2/20 0.51
POLB P06746 1/20 0.50
IDO1 P14902 1/20 0.50

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
SCHEMBL20542549 0.85 NPC1 (0.55) RAB9ANPC1SMN1; SMN2LMNANFKB1
SCHEMBL3278505 0.84 NPC1 (0.77) RAB9ANPC1SMN1; SMN2LMNANFKB1
SCHEMBL6905520 0.82 NPC1 (0.67) RAB9ANPC1SMN1; SMN2LMNANFKB1
SCHEMBL6951826 0.81 BUB1 (0.56) RAB9ANPC1SMN1; SMN2LMNANFKB1
SCHEMBL5467090 0.80 RORC (0.49) RAB9ANPC1SMN1; SMN2LMNANFKB1
SCHEMBL1819335 0.80 NPC1 (1.00) RAB9ANPC1SMN1; SMN2LMNANFKB1
SCHEMBL3266299 0.80 NPC1 (0.71) RAB9ANPC1SMN1; SMN2LMNANFKB1
SCHEMBL30073965 0.78 NPC1 (0.78) RAB9ANPC1SMN1; SMN2LMNANFKB1
SCHEMBL3112891 0.78 NPC1 (0.78) RAB9ANPC1SMN1; SMN2LMNANFKB1
SCHEMBL15921022 0.76 BUB1 (1.00) RAB9ANPC1SMN1; SMN2LMNANFKB1

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-0282971-B1 Substituted 2-aminobenzothiazoles and derivatives useful as cerebrovascular agents WARNER LAMBERT CO (US) 1994-12-28 EP disclosed
US-4971983-A Use as anesthetics in surgery where a risk of cerebrovascular damage exists; e.g. riluzole WARNER-LAMBERT COMPANY (US) 1990-11-20 US disclosed
US-4918090-A ADMINISTERING TO STROKE PATIENT WARNER-LAMBERT COMPANY (US) 1990-04-17 US disclosed
US-4826860-A STROKES WARNER-LAMBERT COMPANY (US) 1989-05-02 US disclosed